Structure of PDB 1u3c Chain A Binding Site BS03

Receptor Information
>1u3c Chain A (length=485) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CSIVWFRRDLRVEDNPALAAAVRAGPVIALFVWAPEEEGHYHPGRVSRWW
LKNSLAQLDSSLRSLGTCLITKRSTDSVASLLDVVKSTGASQIFFNHLYD
PLSLVRDHRAKDVLTAQGIAVRSFNADLLYEPWEVTDELGRPFSMFAAFW
ERCLSMPYDPESPLLPPKKIISGDVSKCVADPLVFEDDSEKGSNALLARA
WSPGWSNGDKALTTFINGPLLEYSKNRRKADSATTSFLSPHLHFGEVSVR
KVFHLVRIKQVAWANEGNEAGEESVNLFLKSIGLREYSRYISFNHPYSHE
RPLLGHLKFFPWAVDENYFKAWRQGRTGYPLVDAGMRELWATGWLHDRIR
VVVSSFFVKVLQLPWRWGMKYFWDTLLDADLESDALGWQYITGTLPDSRE
FDRIDNPQFEGYKFDPNGEYVRRWLPELSRLPTDWIHHPWNAPESVLQAA
GIELGSNYPLPIVGLDEAKARLHEALSQMWQLEAA
Ligand information
Ligand IDFAD
InChIInChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1
InChIKeyVWWQXMAJTJZDQX-UYBVJOGSSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56)c2cc1C
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O
CACTVS 3.341Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)c2cc1C
ACDLabs 10.04O=C2C3=Nc1cc(c(cc1N(C3=NC(=O)N2)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C
FormulaC27 H33 N9 O15 P2
NameFLAVIN-ADENINE DINUCLEOTIDE
ChEMBLCHEMBL1232653
DrugBankDB03147
ZINCZINC000008215434
PDB chain1u3c Chain A Residue 510 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1u3c Structure of the photolyase-like domain of cryptochrome 1 from Arabidopsis thaliana.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		Y235 T247 S248 F249 S251 F290 S293 R297 W356 D359 R362 F384 D390 D392 S395 D396 G399
Binding residue
(residue number reindexed from 1)		Y223 T235 S236 F237 S239 F278 S281 R285 W344 D347 R350 F372 D378 D380 S383 D384 G387
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) S293 L296 W324 D359 W377 W400
Catalytic site (residue number reindexed from 1) S281 L284 W312 D347 W365 W388
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0009882 blue light photoreceptor activity
Biological Process
GO:0009785 blue light signaling pathway

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1u3c, PDBe:1u3c, PDBj:1u3c
PDBsum1u3c
PubMed15299148
UniProtQ43125|CRY1_ARATH Cryptochrome-1 (Gene Name=CRY1)

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